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2H6E
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BU of 2h6e by Molmil
Crystal structure of the D-arabinose dehydrogenase from Sulfolobus solfataricus
分子名称: D-arabinose 1-dehydrogenase, ZINC ION
著者Brouns, S.J.J, Turnbull, A.P, Akerboom, J, Willemen, H.L.D.M, De Vos, W.M, Van der Oost, J.
登録日2006-05-31
公開日2007-06-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Biochemical Properties of the d-Arabinose Dehydrogenase from Sulfolobus solfataricus
J.Mol.Biol., 371, 2007
5NP8
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BU of 5np8 by Molmil
PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid)
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ...
著者Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation.
Neoplasia, 21, 2019
5LIA
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BU of 5lia by Molmil
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P.
登録日2016-07-14
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
2J90
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Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6)
分子名称: 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ...
著者Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2006-10-31
公開日2006-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
2HE2
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BU of 2he2 by Molmil
Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2
分子名称: Discs large homolog 2
著者Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2I1N
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BU of 2i1n by Molmil
Crystal structure of the 1st PDZ domain of Human DLG3
分子名称: Discs, large homolog 3, SODIUM ION
著者Turnbull, A.P, Phillips, C, Bunkoczi, G, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Gorrec, F, Umeano, C, Elkins, J, Berridge, G, Savitsky, P, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-08-14
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
3BQB
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Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase
分子名称: MAGNESIUM ION, Putative uncharacterized protein
著者Barends, T.M, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
登録日2007-12-20
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily
J.Mol.Biol., 379, 2008
2VTG
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BU of 2vtg by Molmil
Crystal Structure of Human Iba2, trigonal crystal form
分子名称: ACETATE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ZINC ION
著者Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K.
登録日2008-05-15
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and Functional Characterization of Human Iba Proteins.
FEBS J., 275, 2008
5AJW
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BU of 5ajw by Molmil
Human PFKFB3 in complex with an indole inhibitor 2
分子名称: 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJZ
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Human PFKFB3 in complex with an indole inhibitor 5
分子名称: 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
2BV1
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Regulator of G-protein Signalling 1 (Human)
分子名称: REGULATOR OF G-PROTEIN SIGNALLING 1
著者Elkins, J.M, Yang, X, Soundararajan, M, Schoch, G.A, Haroniti, A, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
登録日2005-06-20
公開日2005-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc. Natl. Acad. Sci. U.S.A., 105, 2008
2BT2
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Structure of the regulator of G-protein signaling 16
分子名称: REGULATOR OF G-PROTEIN SIGNALING 16
著者Bunkoczi, G, Haroniti, A, Longman, E, Niesen, F, Soundararajan, M, Ball, L.J, von Delft, F, Doyle, D.A, Arrowsmith, C, Edwards, A, Sundstrom, M.
登録日2005-05-25
公開日2005-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Diversity in the Rgs Domain and its Interaction with Heterotrimeric G Protein Alpha- Subunits.
Proc.Natl.Acad.Sci.USA, 105, 2008
5AK0
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Human PFKFB3 in complex with an indole inhibitor 6
分子名称: (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJY
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Human PFKFB3 in complex with an indole inhibitor 4
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJV
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Human PFKFB3 in complex with an indole inhibitor 1
分子名称: (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJX
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Human PFKFB3 in complex with an indole inhibitor 3
分子名称: (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
2ES0
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Structure of the regulator of G-protein signaling domain of RGS6
分子名称: regulator of G-protein signalling 6
著者Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2005-10-25
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1BGV
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GLUTAMATE DEHYDROGENASE
分子名称: GLUTAMATE DEHYDROGENASE, GLUTAMIC ACID
著者Stillman, T.J, Baker, P.J, Britton, K.L, Rice, D.W.
登録日1998-06-01
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational flexibility in glutamate dehydrogenase. Role of water in substrate recognition and catalysis.
J.Mol.Biol., 234, 1993
3R8G
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BU of 3r8g by Molmil
AKR1C3 complex with ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-24
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R6I
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AKR1C3 complex with meclofenamic acid
分子名称: 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-21
公開日2012-05-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R8H
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AKR1C3 complex with zomepirac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-24
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R94
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AKR1C3 complex with flurbiprofen
分子名称: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-24
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.013 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R58
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AKR1C3 complex with naproxen
分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-18
公開日2012-03-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R43
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AKR1C3 complexed with mefenamic acid
分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ...
著者Squire, C.J, Teague, R.M, Yosaatmadja, L.
登録日2011-03-17
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3R7M
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AKR1C3 complex with sulindac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-22
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012

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